SCHEMBL6928733

SCHEMBL6928733

CC(C)Oc1ccccc1C1CCN(CCCCn2ccn(C34CC5CC(CC(C5)C3)C4)c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADRA1B P35368 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 3/20 0.34
SLC6A4 P31645 1/20 0.34
FPR3 P25089 1/20 0.34
HTR2C P28335 1/20 0.34
EPHX2 P34913 1/20 0.34
HTR1D P28221 1/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6928738 0.87 DRD2 (0.43) DRD2MEN1KMT2AHTR1AHTR2C
SCHEMBL6927067 0.82 DRD2 (0.40) DRD2CACNA1GKCNH2ADRA1BMEN1
SCHEMBL6928656 0.79 PARP1 (0.39) DRD2CACNA1GKCNH2HTR1ASLC6A4
SCHEMBL6927954 0.79 DRD2 (0.41) DRD2CACNA1GKCNH2ADRA1BMEN1
Oxalic Acid SCHEMBL6925423 0.76 CACNA1G (0.39) DRD2CACNA1GKCNH2MEN1KMT2A
SCHEMBL6926642 0.74 DRD2 (0.46) DRD2CACNA1GKCNH2ADRA1B
SCHEMBL6922567 0.69 DRD2 (0.42) DRD2CACNA1GKCNH2ADRA1BMEN1
SCHEMBL6928838 0.69 DRD2 (0.48) DRD2KCNH2HTR1A
SCHEMBL6924575 0.69 DRD2 (0.42) DRD2CACNA1GKCNH2ADRA1BMEN1
SCHEMBL6927072 0.69 DRD2 (0.44) DRD2MEN1KMT2ASLC6A4EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands H. LUNDBECK A/S (DE) 2003-06-26 US disclosed
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed
EP-0770066-A1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1997-05-02 EP disclosed
WO-1995033729-A1 SEROTONIN 5-HT1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1995-12-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands HTR5A, HTR2C, HTR1D DRD2 7/4885CACNA1G 1145/4885KCNH2 233/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.